SCHEMBL4051355

SCHEMBL4051355

O=C(OCc1ccccc1)N1CCC(S(=O)(=O)n2ccc3c4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.46
MTOR P42345 14/20 0.46
PIK3CG P48736 6/20 0.45
PIK3R1 P27986 2/20 0.41
HDAC1 Q13547 1/20 0.41
PIK3CD O00329 2/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3C2A O00443 1/20 0.40
PIK3C2B O00750 1/20 0.40
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
PIK3C2G O75747 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4049748 0.86 MAPT (0.45) MTORMAPTMEN1KMT2ANPSR1
SCHEMBL4056783 0.85 MTOR (0.56) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4054531 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL4053416 0.80 MTOR (0.52) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL4059446 0.74 MTOR (0.62) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL4051823 0.72 PIK3CA (0.76) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL4051674 0.72 HRH3 (0.47) PIK3CAMTORPIK3CG
SCHEMBL4050772 0.69 PIK3CA (0.57) PIK3CAMTORPIK3CDPRKDC
SCHEMBL4057856 0.69 MTOR (0.64) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4060392 0.68 MTOR (0.67) PIK3CAMTORPIK3CGPIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO claimed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US claimed
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS MTOR, RICTOR, RPS6KA3 PIK3CA 19/4885MTOR 1/4885PIK3CG 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.